(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C22H21FN4O3 — CID 59377426

IUPAC(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc2cnn(CCO)c2cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O3/c1-13-8-15-11-25-27(6-7-28)20(15)10-19(13)26-22(30)18-12-24-21(29)9-17(18)14-2-4-16(23)5-3-14/h2-5,8,10-12,17,28H,6-7,9H2,1H3,(H,24,29)(H,26,30)/t17-/m0/s1
InChIKeyGARXFKOAJYYJSB-KRWDZBQOSA-N
MW408.43 g/mol
LogP2.60
Rot. Bonds5

About (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59377426) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59377426
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc2cnn(CCO)c2cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O3/c1-13-8-15-11-25-27(6-7-28)20(15)10-19(13)26-22(30)18-12-24-21(29)9-17(18)14-2-4-16(23)5-3-14/h2-5,8,10-12,17,28H,6-7,9H2,1H3,(H,24,29)(H,26,30)/t17-/m0/s1
InChIKeyGARXFKOAJYYJSB-KRWDZBQOSA-N
XLogP2.60
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59377426) is (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1cc2cnn(CCO)c2cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is GARXFKOAJYYJSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-13-8-15-11-25-27(6-7-28)20(15)10-19(13)26-22(30)18-12-24-21(29)9-17(18)14-2-4-16(23)5-3-14/h2-5,8,10-12,17,28H,6-7,9H2,1H3,(H,24,29)(H,26,30)/t17-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-N-[1-(2-hydroxyethyl)-5-methylindazol-6-yl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).